Pedro J. Ballester

A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking

Pedro J. Ballester, John B. O. Mitchell · Bioinformatics · 2010 · 983 citations · Full text

Machine Learning Prediction of Cancer Cell Sensitivity to Drugs Based on Genomic and Chemical Properties

Michael P. Menden, Francesco Iorio, Mathew J. Garnett et al. · PLoS ONE · 2013 · 551 citations · Full text

Self-replicating system

Tjama Tjivikua, Pedro J. Ballester, Julius Rebek · Journal of the American Chemical Society · 1990 · 394 citations

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Performance of machine-learning scoring functions in structure-based virtual screening

Maciej Wójcikowski, Pedro J. Ballester, Paweł Siedlecki · Scientific Reports · 2017 · 373 citations · Full text

Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen

Michael P. Menden, Dennis Wang, Mike J. Mason et al. · Nature Communications · 2019 · 350 citations · Full text